N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C11H20F3N3O2S — CID 43602825

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(N1CCCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-17(10-3-5-15-6-4-10)20(18,19)16-7-1-2-8-16/h10,15H,1-9H2
InChIKeySIZZFSZPUHYOBC-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.94
Rot. Bonds4

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 43602825) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID43602825
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(N1CCCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-17(10-3-5-15-6-4-10)20(18,19)16-7-1-2-8-16/h10,15H,1-9H2
InChIKeySIZZFSZPUHYOBC-UHFFFAOYSA-N
XLogP0.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 43602825) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is O=S(=O)(N1CCCC1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is SIZZFSZPUHYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)9-17(10-3-5-15-6-4-10)20(18,19)16-7-1-2-8-16/h10,15H,1-9H2.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43602825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).